3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide

C13H13N3O2S — CID 11651993

IUPAC3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide
SMILESCNC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-15-13(18)16-9-7-10(19-11(9)12(14)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,17)(H2,15,16,18)
InChIKeyFQHAURJASXHLTM-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.27
Rot. Bonds3

About 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide

3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide (PubChem CID 11651993) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide
PubChem CID11651993
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide
SMILESCNC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O
InChIInChI=1S/C13H13N3O2S/c1-15-13(18)16-9-7-10(19-11(9)12(14)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,17)(H2,15,16,18)
InChIKeyFQHAURJASXHLTM-UHFFFAOYSA-N
XLogP2.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azd7762
CID 11152667
Tpca-1
CID 9903786
6-phenyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135468292
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-(Carbamoylamino)-5-Phenylthiophene-2-Carboxamide
CID 10220851
3-Amino-5-phenylthiophene-2-carboxamide
CID 2756534
3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11514445
6-methyl-2-oxo-N-phenyl-4-(2-thienyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2837423
4-Ureido-[2,3'-bithiophene]-5-carboxamide
CID 9813985
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 658113
Lsmotinib
CID 130358571

Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide (CID 11651993) is 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide is CNC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O.
What is the InChIKey of 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide?
The InChIKey is FQHAURJASXHLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-15-13(18)16-9-7-10(19-11(9)12(14)17)8-5-3-2-4-6-8/h2-7H,1H3,(H2,14,17)(H2,15,16,18).
What are the key properties of 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide?
3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoylamino)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 11651993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).